ChemSpider 2D Image | (2E,9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione | C31H31N3O8

(2E,9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID65258431

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}amino)ethyliden]dibenzo[b,d]furan-1,3(2H,9bH)-dion [German] [ACD/IUPAC Name]
(2E,9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione [ACD/IUPAC Name]
(2E,9bR)-6-Acétyl-7,9-dihydroxy-8,9b-diméthyl-2-[1-({2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]éthyl}amino)éthylidène]dibenzo[b,d]furane-1,3(2H,9bH)-dione [French] [ACD/IUPAC Name]
1,3(2H,9bH)-Dibenzofurandione, 6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-[[2-oxo-2-[(1S,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]amino]ethylidene]-, (2E,9b R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 915.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 507.2±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.91
ACD/KOC (pH 5.5): 474.81
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 12.79
ACD/KOC (pH 7.4): 156.12
Polar Surface Area: 154 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

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